N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methyl-1H-imidazole-4-sulfonamide
Chemical Structure Depiction of
N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methyl-1H-imidazole-4-sulfonamide
N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methyl-1H-imidazole-4-sulfonamide
Compound characteristics
| Compound ID: | S565-1469 |
| Compound Name: | N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methyl-1H-imidazole-4-sulfonamide |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C19 H25 N9 O3 S |
| Smiles: | CN(CC(N1CCc2c(C1)c(c1nncn1CC1CC1)nn2C)=O)S(c1c[nH]cn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.0267 |
| logD: | -1.0279 |
| logSw: | -1.8084 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.556 |
| InChI Key: | ZUYMIEMZUIEORZ-UHFFFAOYSA-N |